(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine

C19H23N5O3 — CID 90398682

IUPAC(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
SMILESCOCCOc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1
InChIInChI=1S/C19H23N5O3/c1-13-11-24(5-6-26-13)18-10-17(20-12-21-18)19-15-9-14(27-8-7-25-2)3-4-16(15)22-23-19/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyULHKRIAGDOBEOX-ZDUSSCGKSA-N
MW369.43 g/mol
LogP2.27
Rot. Bonds6

About (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine

(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine (PubChem CID 90398682) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
PubChem CID90398682
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
SMILESCOCCOc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1
InChIInChI=1S/C19H23N5O3/c1-13-11-24(5-6-26-13)18-10-17(20-12-21-18)19-15-9-14(27-8-7-25-2)3-4-16(15)22-23-19/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyULHKRIAGDOBEOX-ZDUSSCGKSA-N
XLogP2.27
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
MLi-2
CID 78319901
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053
5-[(1E)-(butoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646054
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-[(prop-2-en-1-yloxy)imino]methyl]pyrimidin-4-amine
CID 23646055
5-[(1E)-[(benzyloxy)imino]methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646058
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(methylamino)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646059
5-[(1E)-{[2-(dimethylamino)ethoxy]imino}methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646060

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine (CID 90398682) is (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine is COCCOc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1.
What is the InChIKey of (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine?
The InChIKey is ULHKRIAGDOBEOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-11-24(5-6-26-13)18-10-17(20-12-21-18)19-15-9-14(27-8-7-25-2)3-4-16(15)22-23-19/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,23)/t13-/m0/s1.
What are the key properties of (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine?
(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine has a molecular weight of 369.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 90398682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).